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ASINEX-ZINC00545741

 MMsINC code: MMs00138904
Type: Neutral
Formula: C15H14Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NCc1ncccc1)C
InChI:   InChI=1/C15H14Cl2N2O2/c1-10(21-14-6-5-11(16)8-13(14)17)15(20)19-9-12-4-2-3-7-18-12/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=72.6199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.195 g/mol  logS: -4.0663  SlogP: 3.7385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063655  Sterimol/B1: 1.99969  Sterimol/B2: 4.30296  Sterimol/B3: 4.71787
  Sterimol/B4: 5.37769  Sterimol/L: 17.6539 
 
 Surface and Volume Properties
  Accessible surface: 562.939  Positive charged surface: 281.638  Negative charged surface: 281.301  Volume: 285
  Hydrophobic surface: 482.111  Hydrophilic surface: 80.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.